3-methylidenespiro[5.5]undec-4-ene

C12H18 — CID 13205232

IUPAC3-methylidenespiro[5.5]undec-4-ene
SMILESC=C1C=CC2(CCCCC2)CC1
InChIInChI=1S/C12H18/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5,9H,1-4,6-8,10H2
InChIKeySFUIGWNHNLZBBJ-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About 3-methylidenespiro[5.5]undec-4-ene

3-methylidenespiro[5.5]undec-4-ene (PubChem CID 13205232) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-methylidenespiro[5.5]undec-4-ene.

Molecular Properties

Compound Name3-methylidenespiro[5.5]undec-4-ene
PubChem CID13205232
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3-methylidenespiro[5.5]undec-4-ene
SMILESC=C1C=CC2(CCCCC2)CC1
InChIInChI=1S/C12H18/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5,9H,1-4,6-8,10H2
InChIKeySFUIGWNHNLZBBJ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenespiro[5.5]undec-4-ene?
The IUPAC name of 3-methylidenespiro[5.5]undec-4-ene (CID 13205232) is 3-methylidenespiro[5.5]undec-4-ene.
What is the SMILES notation for 3-methylidenespiro[5.5]undec-4-ene?
The canonical SMILES for 3-methylidenespiro[5.5]undec-4-ene is C=C1C=CC2(CCCCC2)CC1.
What is the InChIKey of 3-methylidenespiro[5.5]undec-4-ene?
The InChIKey is SFUIGWNHNLZBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h5,9H,1-4,6-8,10H2.
What are the key properties of 3-methylidenespiro[5.5]undec-4-ene?
3-methylidenespiro[5.5]undec-4-ene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenespiro[5.5]undec-4-ene is sourced from PubChem (CID 13205232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).